Geometry & MOs

Info

ID:	89237
PubChem CID:	49960097
Reduced:	Br2N2O4H18C23 (1)
Stoich.:	A2B2C4D18E23 (1)
Weight, g/mol:	503.95072
ΔH_f, kcal/mol:	-12.13
Dipole, Da:	3.86
IP(EA), eV:	-8.59(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dibromo-6-methylphenoxy)methyl]-5-(naphthalen-1-yloxymethyl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C2=NN=C(O2)COC3=C(C4=C(C=C3)C=C(C=C4)Br)Br)OC

DOS

IR

Vibrations